3,4,5,9-tetramethylundecan-2-ol

C15H32O — CID 91616574

IUPAC3,4,5,9-tetramethylundecan-2-ol
SMILESCCC(C)CCCC(C)C(C)C(C)C(C)O
InChIInChI=1S/C15H32O/c1-7-11(2)9-8-10-12(3)13(4)14(5)15(6)16/h11-16H,7-10H2,1-6H3
InChIKeyHQGKVBIHXOOSMG-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.49
Rot. Bonds8

About 3,4,5,9-tetramethylundecan-2-ol

3,4,5,9-tetramethylundecan-2-ol (PubChem CID 91616574) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3,4,5,9-tetramethylundecan-2-ol.

Molecular Properties

Compound Name3,4,5,9-tetramethylundecan-2-ol
PubChem CID91616574
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3,4,5,9-tetramethylundecan-2-ol
SMILESCCC(C)CCCC(C)C(C)C(C)C(C)O
InChIInChI=1S/C15H32O/c1-7-11(2)9-8-10-12(3)13(4)14(5)15(6)16/h11-16H,7-10H2,1-6H3
InChIKeyHQGKVBIHXOOSMG-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3,9-dimethylundecan-2-ol
CID 101151522
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-ethyl-4,8-dimethyldecane
CID 57491716
2,3,9-trimethylundecane
CID 57491510
7-methylnonan-3-ol
CID 64515833
(2S,3R,7R)-3,7-dimethylundecan-2-ol
CID 15548643
14-methylhexadecan-1-ol
CID 5283264
(11S)-11-methyltridecan-1-ol
CID 71389600
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
(10S)-10-methyldodecan-1-ol
CID 11715372
(7S)-7-methylnonan-1-ol
CID 11105641
3,4,11-trimethyltridecane
CID 123211760

Frequently Asked Questions

What is the IUPAC name of 3,4,5,9-tetramethylundecan-2-ol?
The IUPAC name of 3,4,5,9-tetramethylundecan-2-ol (CID 91616574) is 3,4,5,9-tetramethylundecan-2-ol.
What is the SMILES notation for 3,4,5,9-tetramethylundecan-2-ol?
The canonical SMILES for 3,4,5,9-tetramethylundecan-2-ol is CCC(C)CCCC(C)C(C)C(C)C(C)O.
What is the InChIKey of 3,4,5,9-tetramethylundecan-2-ol?
The InChIKey is HQGKVBIHXOOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-7-11(2)9-8-10-12(3)13(4)14(5)15(6)16/h11-16H,7-10H2,1-6H3.
What are the key properties of 3,4,5,9-tetramethylundecan-2-ol?
3,4,5,9-tetramethylundecan-2-ol has a molecular weight of 228.42 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,9-tetramethylundecan-2-ol is sourced from PubChem (CID 91616574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).